3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide

C17H11F2NO2S2 — CID 90612529

IUPAC3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2NO2S2/c18-13-3-1-10(7-14(13)19)17(22)20-8-12-2-4-15(24-12)16(21)11-5-6-23-9-11/h1-7,9H,8H2,(H,20,22)
InChIKeyWUNCFTUKIFESOB-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.25
Rot. Bonds5

About 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide

3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 90612529) has the molecular formula C17H11F2NO2S2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID90612529
Molecular FormulaC17H11F2NO2S2
Molecular Weight363.41 g/mol
Exact Mass363.02
IUPAC Name3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2NO2S2/c18-13-3-1-10(7-14(13)19)17(22)20-8-12-2-4-15(24-12)16(21)11-5-6-23-9-11/h1-7,9H,8H2,(H,20,22)
InChIKeyWUNCFTUKIFESOB-UHFFFAOYSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612616
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717694
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (CID 90612529) is 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is WUNCFTUKIFESOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2S2/c18-13-3-1-10(7-14(13)19)17(22)20-8-12-2-4-15(24-12)16(21)11-5-6-23-9-11/h1-7,9H,8H2,(H,20,22).
What are the key properties of 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 363.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 90612529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).